CID 91994288

Ns00117054

Structural Information

Molecular Formula

C₂₆H₂₈N₂O

SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=C(C=C4)O

InChI

InChI=1S/C26H28N2O/c29-25-15-13-24(14-16-25)26(23-11-5-2-6-12-23)28-20-18-27(19-21-28)17-7-10-22-8-3-1-4-9-22/h1-16,26,29H,17-21H2/b10-7+

InChIKey

UQMAKWWGLMGUQQ-JXMROGBWSA-N

Compound name

4-[phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]phenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 384.22015 Da
Monoisotopic Mass: 5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	385.227426	197.0
[M+Na]+	407.209368	198.9
[M-H]-	383.212874	203.3
[M+NH4]+	402.253973	203.3
[M+K]+	423.183308	190.7
[M+H-H2O]+	367.217410	184.1
[M+HCOO]-	429.218351	210.3
[M+CH3COO]-	443.234001	203.2
[M+Na-2H]-	405.194816	197.4
[M]+	384.21960142	190.0
[M]-	384.22069858	190.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.